Cas no 3707-47-9 (2-Naphthacenecarboxamide,1,3,10,11,12-pentahydroxy-)
3707-47-9 structure
Product Name:2-Naphthacenecarboxamide,1,3,10,11,12-pentahydroxy-
CAS No:3707-47-9
MF:C19H13NO6
MW:351.309625387192
CID:321553
PubChem ID:12305708
Update Time:2025-04-19
2-Naphthacenecarboxamide,1,3,10,11,12-pentahydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthacenecarboxamide,1,3,10,11,12-pentahydroxy-
- Pretetramid
- Pretetramide
- SCHEMBL17867222
- 1,3,10,11,12-PENTAHYDROXYTETRACENE-2-CARBOXAMIDE
- Q27155527
- C18295
- CHEBI:81646
- 3707-47-9
-
- Inchi： 1S/C19H13NO6/c20-19(26)15-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)16(23)13(8)17(24)14(9)18(15)25/h1-6,21-25H,(H2,20,26)
- InChI Key： ZZAJNFHIGVVCFT-UHFFFAOYSA-N
- SMILES： OC1C2C(=C(C(N)=O)C(=CC=2C=C2C=C3C=CC=C(C3=C(C2=1)O)O)O)O
Computed Properties
- Exact Mass: 351.07429
- Monoisotopic Mass: 351.07428713g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 558
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 144?2
Experimental Properties
- PSA: 144.24
2-Naphthacenecarboxamide,1,3,10,11,12-pentahydroxy- Related Literature
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1. Novel synthesis of pretetramidJohn A. Murphy,James Staunton J. Chem. Soc. Chem. Commun. 1979 1166
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Christopher T. Walsh Nat. Prod. Rep. 2023 40 326
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C. H. Hassall,G. Wootton J. Chem. Soc. C 1969 2805
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4. The biosynthesis of phenols. Part XI. Oxidation of a model carboxyamide related to 6-methylpretetramidC. H. Hassall,T. E. Winters J. Chem. Soc. C 1967 912
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Carlos Olano,Carmen Méndez,José A. Salas Nat. Prod. Rep. 2010 27 571
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